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Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study

หน่วยงาน Nanyang Technological University, Singapore

รายละเอียด

ชื่อเรื่อง : Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study
นักวิจัย : Wang, Z. F. , Li, Qunxiang , Zheng, Huaixiu , Ren, Hao , Su, Haibin , Shi, Q. W. , Chen, Jie
คำค้น : DRNTU::Engineering::Materials::Nanostructured materials
หน่วยงาน : Nanyang Technological University, Singapore
ผู้ร่วมงาน : -
ปีพิมพ์ : 2550
อ้างอิง : Wang, Z. F., Li, Q., Zheng, H., Ren, H., Su, H., Shi, Q. W., et al. (2007). Tuning the electronic structure of graphene nanoribbons through chemical edge modification: a theoretical study. Physical Review B, 75. , http://hdl.handle.net/10220/6914 , http://dx.doi.org/10.1103/PhysRevB.75.113406
ที่มา : -
ความเชี่ยวชาญ : -
ความสัมพันธ์ : Physical review B
ขอบเขตของเนื้อหา : -
บทคัดย่อ/คำอธิบาย :

We report combined first-principle and tight-binding (TB) calculations to simulate the effects of chemical edge modifications on structural and electronic properties. The C-C bond lengths and bond angles near the graphene nanoribbon (GNR) edge have considerable changes when edge carbon atoms are bounded to different atoms. By introducing a phenomenological hopping parameter t1 for nearest-neighbor hopping to represent various chemical edge modifications, we investigated the electronic structural changes of nanoribbons with different widths based on the tight-binding scheme. Theoretical results show that addends can change the band structures of armchair GNRs and even result in observable metal-to-insulator transition.

บรรณานุกรม :
Wang, Z. F. , Li, Qunxiang , Zheng, Huaixiu , Ren, Hao , Su, Haibin , Shi, Q. W. , Chen, Jie . (2550). Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study.
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Wang, Z. F. , Li, Qunxiang , Zheng, Huaixiu , Ren, Hao , Su, Haibin , Shi, Q. W. , Chen, Jie . 2550. "Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study".
    กรุงเทพมหานคร : Nanyang Technological University, Singapore.
Wang, Z. F. , Li, Qunxiang , Zheng, Huaixiu , Ren, Hao , Su, Haibin , Shi, Q. W. , Chen, Jie . "Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study."
    กรุงเทพมหานคร : Nanyang Technological University, Singapore, 2550. Print.
Wang, Z. F. , Li, Qunxiang , Zheng, Huaixiu , Ren, Hao , Su, Haibin , Shi, Q. W. , Chen, Jie . Tuning the electronic structure of graphene nanoribbons through chemical edge modification : a theoretical study. กรุงเทพมหานคร : Nanyang Technological University, Singapore; 2550.